N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C25H27N7OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C25H27N7OCl2 |
| Smiles | Clc1cc(Cl)c(COc2ccc(/C=N\Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cc2)cc1 |
| InChI | InChI=1S/C25H27Cl2N7O/c26-20-8-7-19(22(27)15-20)17-35-21-9-5-18(6-10-21)16-28-32-23-29-24(33-11-1-2-12-33)31-25(30-23)34-13-3-4-14-34/h5-10,15-16H,1-4,11-14,17H2,(H,29,30,31,32) |
| InChIK | ZFPKHHHGCLNTQI-UHFFFAOYSA-N |
| TotalMolweight | 512.443 |
| Molweight | 512.443 |
| MonoisotopicMass | 511.165412 |
| CLogP | 7.8046 |
| CLogS | -7.592 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 383.56 |
| Relative PSA | 0.19027 |
| PolarSurfaceArea | 78.77 |
| Druglikeness | 3.6858 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
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